I+/--D-Glucopyranoside, methyl 3-O-methyl-4,6-O-(phenylmethylene)-, 2-[2,4,6-tris(1-methylethyl)benzenesulfonate]
Basic information
- CAS
1185253-37-5- Standard SMILES
CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OC)[C@H]1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C- InChIKey
HMFCRIXEAGNVED-TUXHTCAFSA-N- Molecular formula
- C30H42O8S
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.26003947
Names & identifiers
- Preferred name
- I+/--D-Glucopyranoside, methyl 3-O-methyl-4,6-O-(phenylmethylene)-, 2-[2,4,6-tris(1-methylethyl)benzenesulfonate]
- IUPAC
- [(4aR,6S,7R,8S,8aR)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate
Names & synonyms
DTXSID8011084851185253-37-5I+/--D-Glucopyranoside, methyl 3-O-methyl-4,6-O-(phenylmethylene)-, 2-[2,4,6-tris(1-methylethyl)benzenesulfonate]
Database identifiers
- CAS
1185253-37-5- PubChem CID
- 165367407
- DTXSID
DTXSID801108485
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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